3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide

C25H28N4O2 — CID 92574896

IUPAC3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3
InChIInChI=1S/C25H28N4O2/c30-24(26-20-8-4-5-9-20)19-10-11-21-22(16-19)27-23-12-13-28(14-15-29(23)25(21)31)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,16,20H,4-5,8-9,12-15,17H2,(H,26,30)
InChIKeyIFLCXNWDWPWKCH-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.13
Rot. Bonds4

About 3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide

3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide (PubChem CID 92574896) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide
PubChem CID92574896
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3
InChIInChI=1S/C25H28N4O2/c30-24(26-20-8-4-5-9-20)19-10-11-21-22(16-19)27-23-12-13-28(14-15-29(23)25(21)31)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,16,20H,4-5,8-9,12-15,17H2,(H,26,30)
InChIKeyIFLCXNWDWPWKCH-UHFFFAOYSA-N
XLogP3.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-benzyl-11-oxo-N-prop-2-enyl-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide
CID 95802009
N-cycloheptyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22550936
3-benzyl-N-cyclopentyl-2-(diethylamino)-4-oxoquinazoline-7-carboxamide
CID 53052510
3-benzyl-N-ethyl-N-(2-hydroxyethyl)-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide
CID 92591062
N-benzyl-11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazoline-3-carboxamide
CID 22551039
9-oxo-N-(1-propan-2-ylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 17456065
methyl 4-[3-benzyl-7-(cyclopentylcarbamoyl)-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanoate
CID 46284165
N-(2-benzylsulfanylethyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 9490294
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxamide
CID 33344564
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
3-benzyl-8-[2-(3-fluorophenyl)ethynyl]-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazolin-11-one
CID 58574781
N-[(1S,2S)-2-methylcyclohexyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 7598648

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide?
The IUPAC name of 3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide (CID 92574896) is 3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide.
What is the SMILES notation for 3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide?
The canonical SMILES for 3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide is O=C(NC1CCCC1)c1ccc2c(=O)n3c(nc2c1)CCN(Cc1ccccc1)CC3.
What is the InChIKey of 3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide?
The InChIKey is IFLCXNWDWPWKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c30-24(26-20-8-4-5-9-20)19-10-11-21-22(16-19)27-23-12-13-28(14-15-29(23)25(21)31)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,16,20H,4-5,8-9,12-15,17H2,(H,26,30).
What are the key properties of 3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide?
3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-cyclopentyl-11-oxo-1,2,4,5-tetrahydro-[1,4]diazepino[7,1-b]quinazoline-8-carboxamide is sourced from PubChem (CID 92574896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).